#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008954.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2008954
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_publ_section_title
;
Octacarbonyl-1\k^4^C,2\k^4^C-\m-dicyclohexylphosphido-1:2\k^2^P:P-
triphenylphosphine-2\kP-silverdirhenium(2 Re---Ag)
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Fl\"orke, Ulrich'
  'Haupt, Hans-J\"urgen'
_chemical_formula_moiety  'C38 H37 Ag1 O8 P2 Re2'
_chemical_formula_sum  'C38 H37 Ag O8 P2 Re2'
_chemical_formula_iupac  '[Re2 Ag1 (C12 H22 P1) (C18 H15 P1) (C1 O1)8]'
_chemical_formula_weight  1163.89
_symmetry_cell_setting  Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  11.078(2)
_cell_length_b  12.869(2)
_cell_length_c  28.770(5)
_cell_angle_alpha  90.00
_cell_angle_beta  100.170(10)
_cell_angle_gamma  90.00
_cell_volume  4037.1(12)
_cell_formula_units_Z  4
_cell_measurement_temperature  203(2)
_exptl_crystal_density_diffrn  1.915
_diffrn_ambient_temperature  203(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Re1 0.44357(3) 1.17647(2) -0.176356(10) 0.02989(9) Uani d U 1 . . Re
  Re2 0.54372(3) 1.03292(2) -0.087817(9) 0.02477(8) Uani d U 1 . . Re
  Ag1 0.61559(5) 1.24077(4) -0.098593(19) 0.03197(14) Uani d U 1 . . Ag
  P1 0.40523(17) 0.99306(14) -0.16142(6) 0.0272(4) Uani d U 1 . . P
  P2 0.77629(18) 1.35412(15) -0.05870(7) 0.0324(5) Uani d U 1 . . P
  O1 0.3007(5) 1.1634(5) -0.27750(19) 0.0562(17) Uani d U 1 . . O
  C1 0.3524(7) 1.1700(6) -0.2393(3) 0.0404(19) Uani d U 1 . . C
  O2 0.6870(6) 1.1357(6) -0.2137(2) 0.077(2) Uani d U 1 . . O
  C2 0.5969(8) 1.1485(7) -0.1996(3) 0.046(2) Uani d U 1 . . C
  O3 0.2161(6) 1.2389(5) -0.1320(2) 0.0628(18) Uani d U 1 . . O
  C3 0.2988(8) 1.2128(6) -0.1476(3) 0.0397(18) Uani d U 1 . . C
  O4 0.4854(7) 1.4147(5) -0.1833(2) 0.085(2) Uani d U 1 . . O
  C4 0.4797(9) 1.3263(7) -0.1798(3) 0.058(2) Uani d U 1 . . C
  O5 0.3205(5) 1.1144(5) -0.04549(18) 0.0489(15) Uani d U 1 . . O
  C5 0.4025(7) 1.0824(6) -0.0612(2) 0.0326(16) Uani d U 1 . . C
  O6 0.7119(5) 1.1041(4) 0.00476(17) 0.0472(15) Uani d U 1 . . O
  C6 0.6506(7) 1.0826(5) -0.0303(2) 0.0320(16) Uani d U 1 . . C
  O7 0.5325(5) 0.8118(4) -0.04813(19) 0.0542(16) Uani d U 1 . . O
  C7 0.5359(7) 0.8947(6) -0.0621(2) 0.0403(19) Uani d U 1 . . C
  O8 0.7786(5) 0.9809(5) -0.1290(2) 0.0664(19) Uani d U 1 . . O
  C8 0.6912(7) 0.9995(6) -0.1153(3) 0.0377(17) Uani d U 1 . . C
  C11 0.4459(8) 0.8884(6) -0.2005(2) 0.049(2) Uani d DU 1 . . C
  H11 0.3644 0.8625 -0.2158 0.058 Uiso calc R 1 . . H
  C12 0.5024(8) 0.7932(6) -0.1742(3) 0.062(2) Uani d DU 1 . . C
  H12A 0.5809 0.8127 -0.1548 0.074 Uiso calc R 1 . . H
  H12B 0.4483 0.7691 -0.1529 0.074 Uiso calc R 1 . . H
  C13 0.5237(10) 0.7052(7) -0.2062(4) 0.086(3) Uani d DU 1 . . C
  H13A 0.5748 0.6524 -0.1876 0.104 Uiso calc R 1 . . H
  H13B 0.4448 0.6731 -0.2192 0.104 Uiso calc R 1 . . H
  C14 0.5831(11) 0.7387(8) -0.2448(4) 0.109(4) Uani d DU 1 . . C
  H14A 0.5850 0.6799 -0.2663 0.130 Uiso calc R 1 . . H
  H14B 0.6682 0.7572 -0.2318 0.130 Uiso calc R 1 . . H
  C15 0.5239(10) 0.8293(7) -0.2729(3) 0.084(3) Uani d DU 1 . . C
  H15A 0.4459 0.8071 -0.2918 0.101 Uiso calc R 1 . . H
  H15B 0.5772 0.8533 -0.2945 0.101 Uiso calc R 1 . . H
  C16 0.5006(12) 0.9189(7) -0.2408(3) 0.106(4) Uani d DU 1 . . C
  H16A 0.5787 0.9538 -0.2292 0.127 Uiso calc R 1 . . H
  H16B 0.4465 0.9694 -0.2596 0.127 Uiso calc R 1 . . H
  C21 0.2444(6) 0.9637(5) -0.1558(2) 0.0335(16) Uani d DU 1 . . C
  H21 0.2229 1.0156 -0.1332 0.040 Uiso calc R 1 . . H
  C22 0.1526(6) 0.9801(6) -0.2010(3) 0.045(2) Uani d DU 1 . . C
  H22A 0.1706 0.9317 -0.2252 0.054 Uiso calc R 1 . . H
  H22B 0.1606 1.0510 -0.2125 0.054 Uiso calc R 1 . . H
  C23 0.0220(6) 0.9629(7) -0.1932(3) 0.055(2) Uani d DU 1 . . C
  H23A 0.0008 1.0168 -0.1719 0.066 Uiso calc R 1 . . H
  H23B -0.0342 0.9696 -0.2234 0.066 Uiso calc R 1 . . H
  C24 0.0052(7) 0.8580(6) -0.1725(3) 0.052(2) Uani d DU 1 . . C
  H24A 0.0171 0.8040 -0.1952 0.062 Uiso calc R 1 . . H
  H24B -0.0786 0.8520 -0.1662 0.062 Uiso calc R 1 . . H
  C25 0.0956(7) 0.8419(7) -0.1270(3) 0.053(2) Uani d DU 1 . . C
  H25A 0.0869 0.7711 -0.1154 0.063 Uiso calc R 1 . . H
  H25B 0.0768 0.8904 -0.1030 0.063 Uiso calc R 1 . . H
  C26 0.2275(6) 0.8586(6) -0.1339(3) 0.0404(19) Uani d DU 1 . . C
  H26A 0.2824 0.8536 -0.1033 0.048 Uiso calc R 1 . . H
  H26B 0.2502 0.8038 -0.1544 0.048 Uiso calc R 1 . . H
  C31 0.7281(6) 1.4343(6) -0.0131(3) 0.0356(17) Uani d DU 1 . . C
  C32 0.6614(7) 1.3866(7) 0.0184(3) 0.050(2) Uani d DU 1 . . C
  H32 0.6466 1.3147 0.0167 0.060 Uiso calc R 1 . . H
  C33 0.6185(8) 1.4448(7) 0.0513(3) 0.063(3) Uani d DU 1 . . C
  H33 0.5734 1.4123 0.0720 0.076 Uiso calc R 1 . . H
  C34 0.6389(9) 1.5482(8) 0.0551(3) 0.064(3) Uani d DU 1 . . C
  H34 0.6096 1.5865 0.0786 0.077 Uiso calc R 1 . . H
  C35 0.7018(8) 1.5968(7) 0.0248(3) 0.061(2) Uani d DU 1 . . C
  H35 0.7139 1.6691 0.0268 0.074 Uiso calc R 1 . . H
  C36 0.7483(7) 1.5395(6) -0.0091(3) 0.0455(19) Uani d DU 1 . . C
  H36 0.7939 1.5730 -0.0294 0.055 Uiso calc R 1 . . H
  C41 0.8483(7) 1.4415(5) -0.0956(2) 0.0349(16) Uani d DU 1 . . C
  C42 0.9727(7) 1.4540(6) -0.0905(3) 0.046(2) Uani d DU 1 . . C
  H42 1.0246 1.4176 -0.0666 0.055 Uiso calc R 1 . . H
  C43 1.0226(8) 1.5194(7) -0.1201(3) 0.058(2) Uani d DU 1 . . C
  H43 1.1082 1.5269 -0.1163 0.070 Uiso calc R 1 . . H
  C44 0.9504(10) 1.5723(7) -0.1541(3) 0.063(3) Uani d DU 1 . . C
  H44 0.9852 1.6175 -0.1737 0.076 Uiso calc R 1 . . H
  C45 0.8268(10) 1.5608(8) -0.1603(3) 0.071(3) Uani d DU 1 . . C
  H45 0.7761 1.5977 -0.1844 0.086 Uiso calc R 1 . . H
  C46 0.7762(8) 1.4958(6) -0.1317(3) 0.058(2) Uani d DU 1 . . C
  H46 0.6906 1.4877 -0.1366 0.069 Uiso calc R 1 . . H
  C51 0.9020(6) 1.2746(6) -0.0293(2) 0.0313(16) Uani d DU 1 . . C
  C52 0.9654(6) 1.2943(6) 0.0154(2) 0.0355(17) Uani d DU 1 . . C
  H52 0.9436 1.3517 0.0324 0.043 Uiso calc R 1 . . H
  C53 1.0615(7) 1.2305(7) 0.0357(3) 0.049(2) Uani d DU 1 . . C
  H53 1.1023 1.2438 0.0667 0.059 Uiso calc R 1 . . H
  C54 1.0970(8) 1.1487(7) 0.0112(3) 0.056(2) Uani d DU 1 . . C
  H54 1.1633 1.1068 0.0248 0.067 Uiso calc R 1 . . H
  C55 1.0353(8) 1.1281(7) -0.0334(3) 0.059(2) Uani d DU 1 . . C
  H55 1.0593 1.0717 -0.0504 0.071 Uiso calc R 1 . . H
  C56 0.9379(7) 1.1900(6) -0.0535(3) 0.048(2) Uani d DU 1 . . C
  H56 0.8955 1.1746 -0.0840 0.058 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Re1 0.03397(18) 0.02579(15) 0.02803(15) -0.00534(15) 0.00033(13) 0.00434(13)
  Re2 0.02610(16) 0.02228(14) 0.02545(14) -0.00191(14) 0.00322(11) 0.00123(13)
  Ag1 0.0325(3) 0.0261(3) 0.0354(3) -0.0083(3) 0.0007(3) -0.0002(2)
  P1 0.0288(10) 0.0236(9) 0.0290(9) -0.0034(8) 0.0047(8) -0.0003(8)
  P2 0.0302(11) 0.0266(10) 0.0399(11) -0.0082(9) 0.0044(9) -0.0024(8)
  O1 0.056(4) 0.065(4) 0.043(3) -0.002(3) -0.006(3) 0.014(3)
  C1 0.050(5) 0.036(4) 0.033(3) -0.006(4) 0.003(3) 0.008(3)
  O2 0.049(4) 0.107(6) 0.081(5) -0.022(4) 0.032(4) 0.005(4)
  C2 0.044(4) 0.064(6) 0.029(4) -0.024(4) 0.004(3) -0.001(4)
  O3 0.063(4) 0.059(4) 0.068(4) 0.026(4) 0.017(3) -0.002(3)
  C3 0.047(4) 0.035(4) 0.034(4) 0.005(4) -0.001(3) -0.007(3)
  O4 0.123(6) 0.031(3) 0.082(5) -0.016(4) -0.031(4) 0.020(3)
  C4 0.081(7) 0.038(4) 0.046(5) -0.021(4) -0.016(4) 0.016(4)
  O5 0.040(3) 0.066(4) 0.042(3) 0.014(3) 0.012(3) -0.001(3)
  C5 0.040(4) 0.034(4) 0.020(3) -0.003(3) -0.004(3) 0.003(3)
  O6 0.050(4) 0.056(4) 0.031(3) -0.018(3) -0.005(3) 0.001(3)
  C6 0.037(4) 0.026(4) 0.032(3) 0.000(3) 0.003(3) 0.002(3)
  O7 0.074(4) 0.029(3) 0.054(4) -0.004(3) -0.002(3) 0.013(3)
  C7 0.055(5) 0.033(4) 0.031(4) -0.007(4) 0.001(4) 0.005(3)
  O8 0.046(4) 0.085(5) 0.074(4) 0.011(4) 0.026(3) -0.016(4)
  C8 0.036(4) 0.036(4) 0.039(4) 0.002(3) 0.002(3) -0.006(3)
  C11 0.077(6) 0.039(4) 0.030(4) 0.015(4) 0.008(4) -0.010(3)
  C12 0.053(6) 0.037(5) 0.097(7) 0.008(4) 0.017(5) -0.002(4)
  C13 0.098(9) 0.049(6) 0.111(8) 0.016(6) 0.015(7) -0.019(5)
  C14 0.120(10) 0.054(6) 0.175(11) 0.021(7) 0.091(8) -0.018(7)
  C15 0.119(9) 0.071(7) 0.075(7) 0.001(7) 0.052(6) -0.032(5)
  C16 0.191(12) 0.048(6) 0.109(8) 0.014(7) 0.110(8) -0.008(5)
  C21 0.032(3) 0.032(4) 0.038(4) -0.007(3) 0.009(3) -0.003(3)
  C22 0.029(4) 0.049(5) 0.054(5) -0.009(4) 0.000(3) 0.009(4)
  C23 0.032(4) 0.065(5) 0.066(6) -0.009(5) 0.007(4) -0.003(5)
  C24 0.038(4) 0.043(5) 0.080(6) -0.010(4) 0.028(4) -0.017(4)
  C25 0.059(5) 0.047(5) 0.059(5) -0.022(4) 0.029(4) -0.009(4)
  C26 0.046(4) 0.038(4) 0.040(4) -0.007(4) 0.013(4) 0.003(3)
  C31 0.026(4) 0.034(4) 0.045(4) -0.005(3) 0.003(3) -0.008(3)
  C32 0.050(5) 0.046(5) 0.061(5) 0.001(4) 0.027(4) -0.009(4)
  C33 0.057(6) 0.063(6) 0.078(6) -0.006(5) 0.035(5) -0.018(5)
  C34 0.063(6) 0.062(6) 0.069(6) 0.014(5) 0.019(5) -0.023(5)
  C35 0.062(6) 0.038(5) 0.084(7) 0.006(5) 0.012(5) -0.016(4)
  C36 0.045(5) 0.034(4) 0.058(5) -0.003(4) 0.011(4) -0.004(4)
  C41 0.040(4) 0.024(4) 0.041(4) -0.006(3) 0.007(3) -0.005(3)
  C42 0.042(4) 0.050(5) 0.044(4) -0.022(4) 0.005(4) 0.000(4)
  C43 0.056(5) 0.058(6) 0.064(6) -0.028(5) 0.020(4) 0.000(4)
  C44 0.088(6) 0.050(6) 0.055(5) -0.027(5) 0.020(5) 0.003(4)
  C45 0.079(6) 0.061(6) 0.075(7) -0.002(6) 0.017(6) 0.033(5)
  C46 0.050(5) 0.049(6) 0.072(6) -0.002(4) 0.005(4) 0.026(4)
  C51 0.025(4) 0.031(4) 0.037(4) -0.010(3) 0.005(3) 0.002(3)
  C52 0.035(4) 0.039(4) 0.036(4) -0.003(3) 0.014(3) 0.007(3)
  C53 0.037(5) 0.067(6) 0.041(4) 0.001(4) 0.004(4) 0.014(4)
  C54 0.038(5) 0.054(6) 0.079(6) 0.008(4) 0.022(4) 0.020(5)
  C55 0.038(5) 0.051(5) 0.092(6) 0.005(4) 0.022(5) -0.013(5)
  C56 0.041(5) 0.040(5) 0.064(5) -0.007(4) 0.011(4) -0.015(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Re1 C1 . 1.913(7) ?
  Re1 C2 . 1.965(9) ?
  Re1 C4 . 1.975(9) ?
  Re1 C3 . 1.985(9) ?
  Re1 P1 . 2.4495(18) ?
  Re1 Ag1 . 2.7957(7) ?
  Re1 Re2 . 3.1834(6) ?
  Re2 C7 . 1.934(8) ?
  Re2 C6 . 1.964(7) ?
  Re2 C5 . 1.965(8) ?
  Re2 C8 . 1.985(8) ?
  Re2 P1 . 2.4398(18) ?
  Re2 Ag1 . 2.8235(7) ?
  Ag1 P2 . 2.4274(19) ?
  P1 C21 . 1.856(7) ?
  P1 C11 . 1.860(7) ?
  P2 C51 . 1.812(7) ?
  P2 C31 . 1.820(8) ?
  P2 C41 . 1.825(8) ?
  O1 C1 . 1.150(8) ?
  O2 C2 . 1.153(9) ?
  O3 C3 . 1.141(9) ?
  O4 C4 . 1.146(9) ?
  O5 C5 . 1.160(8) ?
  O6 C6 . 1.146(7) ?
  O7 C7 . 1.143(8) ?
  O8 C8 . 1.132(9) ?
  C11 C16 . 1.454(9) ?
  C11 C12 . 1.517(9) ?
  C12 C13 . 1.503(9) ?
  C13 C14 . 1.453(10) ?
  C14 C15 . 1.501(10) ?
  C15 C16 . 1.526(9) ?
  C21 C22 . 1.517(8) ?
  C21 C26 . 1.517(8) ?
  C22 C23 . 1.519(8) ?
  C23 C24 . 1.500(9) ?
  C24 C25 . 1.516(9) ?
  C25 C26 . 1.525(8) ?
  C31 C36 . 1.374(10) ?
  C31 C32 . 1.409(10) ?
  C32 C33 . 1.357(11) ?
  C33 C34 . 1.351(13) ?
  C34 C35 . 1.360(12) ?
  C35 C36 . 1.393(11) ?
  C41 C42 . 1.369(10) ?
  C41 C46 . 1.383(10) ?
  C42 C43 . 1.381(10) ?
  C43 C44 . 1.334(12) ?
  C44 C45 . 1.358(12) ?
  C45 C46 . 1.362(11) ?
  C51 C52 . 1.376(9) ?
  C51 C56 . 1.388(10) ?
  C52 C53 . 1.389(10) ?
  C53 C54 . 1.362(11) ?
  C54 C55 . 1.370(11) ?
  C55 C56 . 1.383(11) ?